2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine

C15H22ClN — CID 81014080

IUPAC2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(c2cccc(Cl)c2)C1
InChIInChI=1S/C15H22ClN/c1-10(2)11-6-7-15(17)14(9-11)12-4-3-5-13(16)8-12/h3-5,8,10-11,14-15H,6-7,9,17H2,1-2H3
InChIKeyFQQPPQFEHCNUPD-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.21
Rot. Bonds2

About 2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine

2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 81014080) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID81014080
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(c2cccc(Cl)c2)C1
InChIInChI=1S/C15H22ClN/c1-10(2)11-6-7-15(17)14(9-11)12-4-3-5-13(16)8-12/h3-5,8,10-11,14-15H,6-7,9,17H2,1-2H3
InChIKeyFQQPPQFEHCNUPD-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine (CID 81014080) is 2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(c2cccc(Cl)c2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is FQQPPQFEHCNUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-10(2)11-6-7-15(17)14(9-11)12-4-3-5-13(16)8-12/h3-5,8,10-11,14-15H,6-7,9,17H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine?
2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 251.80 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 81014080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).